[5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-3-isobutyl-1-(m-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-3-isobutyl-1-(m-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC(=C2)C)CC(C)C)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC(=C2)C)CC(C)C)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C23H34N4O/c1-6-21-22(23(28)26-13-11-25(7-2)12-14-26)20(15-17(3)4)24-27(21)19-10-8-9-18(5)16-19/h8-10,16-17H,6-7,11-15H2,1-5H3/p+1